SCHEMBL7544877

SCHEMBL7544877

CC(C)CC(NC(=O)Cc1ccc(NC(=C[N+](=O)[O-])Nc2ccc(O)cc2)cc1)C(=O)NC(CCNCC(NC(=O)CC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 5/20 0.34
▸ CTSB P07858 4/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ ITGB1 P05556 4/20 0.34
▸ ITGA4 P13612 4/20 0.34
▸ FOLH1 Q04609 1/20 0.34
▸ NPY4R P50391 3/20 0.34
▸ NPY1R P25929 2/20 0.33
▸ NPY2R P49146 2/20 0.33
▸ ADRB2 P07550 2/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ ADRB3 P13945 2/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ OPRD1 P41143 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7539228 1.00 CTSL (0.34) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7544874 1.00 CTSL (0.34) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7539234 1.00 CTSL (0.34) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7541133 0.95 MMP2 (0.39) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7542670 0.95 MMP2 (0.39) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7542683 0.95 MMP2 (0.39) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7541125 0.95 MMP2 (0.39) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7544707 0.94 MMP2 (0.37) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7541724 0.94 MMP2 (0.37) CTSLCTSBMMP2ITGB1ITGA4
SCHEMBL7541735 0.94 MMP2 (0.37) CTSLCTSBMMP2ITGB1ITGA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 — — EP disclosed
Send feedback